CID 189193

2-nitroethene-1,1-diamine

Structural Information

Molecular Formula
C2H5N3O2
SMILES
C(=C(N)N)[N+](=O)[O-]
InChI
InChI=1S/C2H5N3O2/c3-2(4)1-5(6)7/h1H,3-4H2
InChIKey
QPRATAOCXWOIPO-UHFFFAOYSA-N
Compound name
2-nitroethene-1,1-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

367
Patents

103.03818 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.045456 114.5
[M+Na]+ 126.027398 121.1
[M-H]- 102.030904 114.4
[M+NH4]+ 121.072003 135.6
[M+K]+ 142.001338 117.0
[M+H-H2O]+ 86.035440 114.4
[M+HCOO]- 148.036381 140.9
[M+CH3COO]- 162.052031 163.0
[M+Na-2H]- 124.012846 121.6
[M]+ 103.03763142 108.1
[M]- 103.03872858 108.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe